1,4-Anhydro-2,5-dideoxy-5-[(3,3-dimethylbutanoyl)amino]-2-[(2-hydroxybenzyl)amino]-D-arabinitol

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Systematic / IUPAC Name: N-[[(2R,3S,4R)-3-Hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide

ID: Reference11405

Other Names: D-Arabinitol, 1,4-anhydro-2,5-dideoxy-5-[(3,3-dimethyl-1-oxobutyl)amino]-2-[[(2-hydroxyphenyl)methyl]amino]-;
NAT19-551074

Formula: C18H28N2O4

Spectral Data

1,4-Anhydro-2,5-dideoxy-5-[(3,3-dimethylbutanoyl)amino]-2-[(2-hydroxybenzyl)amino]-D-arabinitol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 607
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/25/2022 8:35:17 AM
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Identificators

InChI InChI=1S/C18H28N2O4/c1-18(2,3)8-16(22)20-10-15-17(23)13(11-24-15)19-9-12-6-4-5-7-14(12)21/h4-7,13,15,17,19,21,23H,8-11H2,1-3H3,(H,20,22)/t13-,15-,17+/m1/s1
InChI Key ODLYOTISWVXGFR-UNEWFSDZSA-N
Canonical SMILES CC(C)(C)CC(=O)NCC1C(C(CO1)NCC2=CC=CC=C2O)O
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2,5-dideoxy-5-[(3,3-dimethyl-1-oxobutyl)amino]-2-[[(2-hydroxyphenyl)methyl]amino]-;
NAT19-551074

In Other Databases

PubChem 75536523
ChemSpider 29858403